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FYS

Summary
Name:4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
Formula:C22 H22 O3
Formal charge:0
Formula weight:334.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
OpenEye OEToolkits2.0.64-[(2~{R})-1,1-bis(4-hydroxyphenyl)butan-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O
InChIInChI1.03InChI=1S/C22H22O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,21-25H,2H2,1H3/t21-/m0/s1
InChIKeyInChI1.03UXOAPYKBADUIAI-NRFANRHFSA-N
SMILES_CANONICALCACTVS3.385CC[C@H](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O
SMILESOpenEye OEToolkits2.0.6CCC(c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O

218853

PDB entries from 2024-04-24

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